4YUB
Crystal structure of human Nicotinic Acid Phosphoribosyltransferase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-07 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.972 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 88.018, 101.091, 125.144 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.900 |
| R-factor | 0.19711 |
| Rwork | 0.197 |
| R-free | 0.24285 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f7f |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.832 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MR-Rosetta |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.640 | |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.011 | 0.037 |
| Number of reflections | 25261 | |
| <I/σ(I)> | 10 | 3.7 |
| Completeness [%] | 99.7 | 99.3 |
| Redundancy | 4.4 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1 M Sodium cacodylate pH 6.5 and 1.7 M Sodium acetate |
